Author results

5H7E
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CRYSTAL STRUCTURE OF NATIVE DRCPDASE
Descriptor:RNA 2',3'-cyclic phosphodiesterase, GLYCEROL, SULFATE ION
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2016-11-18
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the RNA 2',3'-cyclic phosphodiesterase from Deinococcus radiodurans
Acta Crystallogr F Struct Biol Commun, 73, 2017
5H7F
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CRYSTAL STRUCTURE OF MN-DERIVATIVE DRCPDASE
Descriptor:RNA 2',3'-cyclic phosphodiesterase, SULFATE ION
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2016-11-18
Release date:2017-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Mn-derivative drCPDase
To be published
5FI4
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DISCOVERY OF IMIDAZO[1,2-A]-PYRIDINE INHIBITORS OF PAN-PI3 KINASES THAT ARE EFFICACIOUS IN A MOUSE XENOGRAFT MODEL
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, GLYCEROL, ...
Authors:Elling, R.A., Knapp, M.S., Han, W., Daniel, L.M., Xy, Y., Burger, M.T., Ni, Z., Smith, A., Lan, J., Williams, T., Verhagen, J., Huh, K., Merritt, H., Chan, J., Kaufman, S., Voliva, C.F., Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
5ZOD
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CRYSTAL STRUCTURE OF HFEN1 IN APO FORM
Descriptor:Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOE
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CRYSTAL STRUCTURE OF D181A HFEN1 IN COMPLEX WITH DNA
Descriptor:Flap endonuclease 1, DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOF
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CRYSTAL STRUCTURE OF D181A/R192F HFEN1 IN COMPLEX WITH DNA
Descriptor:Flap endonuclease 1, DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOG
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CRYSTAL STRUCTURE OF R192F HFEN1 IN COMPLEX WITH DNA
Descriptor:Flap endonuclease 1, DNA (5'-D(*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), ...
Authors:Han, W., Hua, Y., Zhao, Y.
Deposit date:2018-04-13
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
4OLK
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THE CHAP DOMAIN OF LYSGH15
Descriptor:Endolysin, CALCIUM ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Gu, J., Ouyang, S., Liu, Z.J., Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and Biochemical Characterization Reveals LysGH15 as an Unprecedented "EF-Hand-Like" Calcium-Binding Phage Lysin
Plos Pathog., 10, 2014
4OLS
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THE AMIDASE-2 DOMAIN OF LYSGH15
Descriptor:Endolysin, ZINC ION, MAGNESIUM ION, ...
Authors:Gu, J., Ouyang, S., Liu, Z.J., Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and Biochemical Characterization Reveals LysGH15 as an Unprecedented "EF-Hand-Like" Calcium-Binding Phage Lysin
Plos Pathog., 10, 2014
2AMS
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STRUCUTRE OF THE OXIDIZED HIPIP FROM THERMOCHROMATIUM TEPIDUM AT 1.4 ANGSTROM RESOLUTION
Descriptor:High potential iron-sulfur protein, SULFATE ION, IRON/SULFUR CLUSTER, ...
Authors:Hunsicker-Wang, L.M., Han, W., Stout, C.D., Noodleman, L., Fee, J.A.
Deposit date:2005-08-10
Release date:2006-08-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of Hipip from thermochromtium tepidum: a geomteric, crystallographic, and theoretical study.
To be Published
4URD
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CRYO-EM MAP OF TRIGGER FACTOR BOUND TO A TRANSLATING RIBOSOME
Descriptor:TRIGGER FACTOR
Authors:Deeng, J., Chan, K.Y., van der Sluis, E., Bischoff, L., Berninghausen, O., Han, W., Gumbart, J., Schulten, K., Beatrix, B., Beckmann, R.
Deposit date:2014-06-27
Release date:2016-01-13
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Dynamic Behavior of Trigger Factor on the Ribosome.
J.Mol.Biol., 428, 2016
6C0S
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL (4-{6-[(1S)-2-[(3R)-1-ACETYLPIPERIDIN-3-YL]-1-({(2E)-3-[5-CHLORO-2- (1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)ETHYL]-3-CHLOROPYRIDAZIN-4-YL}PHENYL) CARBAMATE
Descriptor:Coagulation factor XI, methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
2MK5
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SOLUTION STRUCTURE OF A PROTEIN DOMAIN
Descriptor:Endolysin
Authors:Feng, Y., Gu, J.
Deposit date:2014-01-24
Release date:2014-05-28
Method:SOLUTION NMR
Cite:Structural and Biochemical Characterization Reveals LysGH15 as an Unprecedented "EF-Hand-Like" Calcium-Binding Phage Lysin
Plos Pathog., 10, 2014
5EXL
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(AMINOMETHYL)-~{N}-[(1~{S})-1-[4-(3-OXIDANYL-1~{H}-INDAZOL-5-YL)PYRIDIN-2-YL]-2-PHENYL-ETHYL]CYCLOHEXANE-1-CARBOXAMIDE
Descriptor:Coagulation factor XIa light chain, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXM
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ~{N}-[4-[2-[(1~{S})-1-[[4-(AMINOMETHYL)CYCLOHEXYL]CARBONYLAMINO]-2-PHENYL-ETHYL]PYRIDIN-4-YL]PHENYL]CARBAMATE
Descriptor:Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXN
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FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR METHYL ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-CHLORANYL-2-(1,2,3,4-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL]AMINO]-2-PHENYL-ETHYL]PYRIDIN-4-YL]PHENYL]CARBAMATE
Descriptor:Coagulation factor XIa light chain, N-ACETYL-D-GLUCOSAMINE, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Authors:Sheriff, S.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5E2O
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}-L-PHENYLALANYL)AMINO]BENZOIC ACID
Descriptor:Coagulation factor XIa light chain, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-BENZYL-2-[2-[5-CHLORO-2-(TETRAZOL-1-YL)PHENYL]ETHYLAMINO]-2-OXO-ETHYL]-4-HYDROXY-2-OXO-1H-QUINOLINE-6-CARBOXAMIDE
Descriptor:Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5TKS
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
Descriptor:Coagulation factor XI, ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
5TKT
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
Descriptor:Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
5TKU
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
Descriptor:Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
2CKX
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CRYSTAL STRUCTURE OF NGTRF1, DOUBLE-STRANDED TELOMERIC REPEAT BINDING FACTOR FROM NICOTIANA TABACUM.
Descriptor:TELOMERE BINDING PROTEIN TBP1
Authors:Byun, J.-S., Cho, H.-S.
Deposit date:2006-04-24
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DNA-Binding Domain of Ngtrf1 Reveals Unique Features of Plant Telomere-Binding Proteins.
Nucleic Acids Res., 36, 2008
2QHB
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CRYSTAL STRUCTURE OF NGTRF COMPLEXED WITH TELOMERIC DNA
Descriptor:5'-D(P*TP*TP*TP*AP*GP*GP*G)-3', 5'-D(P*CP*CP*CP*TP*AP*AP*A)-3', Telomere binding protein TBP1
Authors:Cho, H.-S., Byun, J.-S., Jun, S.-H.
Deposit date:2007-07-02
Release date:2008-07-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complex structure of plant telomere bindig protein, NgTRF and telomere DNA
To be Published
3T9I
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PIM1 COMPLEXED WITH A NOVEL 3,6-DISUBSTITUTED INDOLE AT 2.6 ANG RESOLUTION
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol
Authors:Bellamacina, C., Shu, W., Le, V., Nishiguchi, G., Bussiere, D.
Deposit date:2011-08-02
Release date:2011-10-12
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.
Bioorg.Med.Chem.Lett., 21, 2011
4N6Y
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PIM1 COMPLEXED WITH A PHENYLCARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
Authors:Bellamacina, C.R., Le, V., Shu, W., Burger, M.T., Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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